Figure 5
Expansion of C contacts. Found contacts (dark atoms, see text for details) are expanded in both directions gradually, starting from the shortest contact, such that the distance between newly mapped atoms (shown in grey) undergoes the minimal possible increase. For the example in the figure, pairs of C atoms are mapped in order of their numbering. If the procedure encounters unmappable pair of atoms (as defined in the text) it stops advancing in that direction from the contact. The procedure ensures that unmapped atoms (shown in white) are always the most distant ones in the region between two contacts. |